About 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane
1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane (PubChem CID 10980844) has the molecular formula C6H12F2N2+2
and a molecular weight of 150.17 g/mol. Its IUPAC name is 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane.
Molecular Properties
| Compound Name | 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane |
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| PubChem CID | 10980844 |
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| Molecular Formula | C6H12F2N2+2 |
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| Molecular Weight | 150.17 g/mol |
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| Exact Mass | 150.10 |
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| IUPAC Name | 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane |
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| SMILES | F[N+]12CC[N+](F)(CC1)CC2 |
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| InChI | InChI=1S/C6H12F2N2/c7-9-1-2-10(8,5-3-9)6-4-9/h1-6H2/q+2 |
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| InChIKey | GJMDBFCYBYMONJ-UHFFFAOYSA-N |
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| XLogP | 0.42 |
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| TPSA | 0.00 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | |
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| Rotatable Bonds | |
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| Heavy Atoms | 10 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 150.17 |
| LogP ≤ 5 | 0.42 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 0 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'N-halo', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane?
The IUPAC name of 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane (CID 10980844) is 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane.
What is the SMILES notation for 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane?
The canonical SMILES for 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane is F[N+]12CC[N+](F)(CC1)CC2.
What is the InChIKey of 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane?
The InChIKey is GJMDBFCYBYMONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c7-9-1-2-10(8,5-3-9)6-4-9/h1-6H2/q+2.
What are the key properties of 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane?
1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane has a molecular weight of 150.17 g/mol, XLogP of 0.42, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-1,4-diazoniabicyclo[2.2.2]octane is sourced from PubChem (CID 10980844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).